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methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

View entire compound with spectra: 1 NMR

methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
SpectraBase Compound ID JZX9yhH3Tcr
InChI InChI=1S/C27H28BrNO6/c1-27(2)12-19(30)23-21(13-27)35-25(29)24(26(31)33-4)22(23)15-8-9-20(32-3)16(10-15)14-34-18-7-5-6-17(28)11-18/h5-11,22H,12-14,29H2,1-4H3
InChIKey MIQFOXRQRYVYGK-UHFFFAOYSA-N
Mol Weight 542.43 g/mol
Molecular Formula C27H28BrNO6
Exact Mass 541.110001 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cjq2pqqvAC1
Name methyl 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H28BrNO6/c1-27(2)12-19(30)23-21(13-27)35-25(29)24(26(31)33-4)22(23)15-8-9-20(32-3)16(10-15)14-34-18-7-5-6-17(28)11-18/h5-11,22H,12-14,29H2,1-4H3
InChIKey MIQFOXRQRYVYGK-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8708
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1000195; UBI_ID: UBI-008711
Temperature 313 °C